Alkaloids

7-Angelylretronecine

7-当归酰倒千里光裂碱

PHY-NP-08742 · Natural product research catalog

Catalog number	PHY-NP-08742
CAS number	6029-82-9
Molecular formula	C₁₃H₁₉NO₃
Molecular weight	237.299 g/mol
Chemical class	Alkaloids
Main reported source	Alkanna orientalis
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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7-Angelylretronecine is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	[(1R,8R)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (Z)-2-methylbut-2-enoate
SMILES	C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO
InChIKey	TYGYPIIOOQNWBU-BTRLNGJCSA-N
Subclass / scaffold	Ornithine alkaloids：Pyrrolizidine alkaloids
PubChem CID	6440943

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	2
Aromatic rings	0
Fraction Csp³	0.615
Synthetic accessibility score	3.95
QED score	0.449
Lipinski rule violations	0
NPClassifier pathway	Alkaloids
NPClassifier superclass	Ornithine alkaloids
NPClassifier class	Pyrrolizidine alkaloids
Parent SMILES	C/C=C(/C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12
Parent formula	C₁₃H₁₉NO₃
Parent molecular weight	237.299
Specified stereocenters	2
Unspecified stereocenters	0

Main reported source	Alkanna orientalis
Reported source families	Asteraceae; Boraginaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Alkanna orientalis[1]; Bitter bush[1]; Cryptantha fendleri[1]; Cryptantha leiocarpa[1]; Echium glomeratum[1]; Echium horridum[1]; Echium rauwolfii[1]; Hackelia velutina[1]; Petasites fragrans[1]; Petasites pyrenaicus[1]; Pittocaulon filare[1]; Praxelis clematidea[1]; Senecio glaucus[1]; Senecio hydrophilus[1]; Senecio inornatus[1]
All reported source families	Asteraceae[9]; Boraginaceae[8]
LOTUS species records	17
LOTUS reference records	14
COCONUT occurrence records	Alkanna orientalis; Arnebia decumbens; Arnebia euchroma; Bitter bush; Callyspongia siphonella; Cryptantha fendleri; Cryptantha leiocarpa; Echium glomeratum; Echium horridum; Echium rauwolfii; Echium setosum; Echium vulgare; Eucalyptus coccifera; Hackelia velutina; Petasites fragrans; Petasites pyrenaicus; Pittocaulon filare; Praxelis clematidea; Rhizomnium magnifolium; Senecio glaucus; Senecio hydrophilus; Senecio inornatus; Senecio triangularis; Senecio triangularis Hook; Streptococcus macedonicus; Symphytum officinale
COCONUT organism records	26
COCONUT identifier	CNP0244343.2

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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